#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6p h PHE 18 N 0.00 0.49 -0.52 0.00 3.57 -2.05 -1.74 116.94 116.69 3h6p h PHE 18 Ca 0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.52 3h6p h PHE 18 Cb 0.00 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 3h6p h PHE 18 CO 0.00 0.28 0.35 0.00 -2.23 0.00 0.00 178.31 176.70 3h6p h ALA 19 N 1.20 1.64 -0.32 2.41 0.00 -2.05 0.14 119.26 122.28 3h6p h ALA 19 Ca 0.18 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3h6p h ALA 19 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3h6p h ALA 19 CO -0.09 0.33 -0.11 0.00 0.00 0.00 0.00 179.25 179.39 3h6p h ALA 20 N 1.68 0.45 -0.57 0.00 0.00 -1.84 -0.28 119.26 118.70 3h6p h ALA 20 Ca 0.19 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3h6p h ALA 20 Cb -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3h6p h ALA 20 CO -0.04 0.31 -0.04 0.87 0.00 0.00 0.00 179.25 180.35 3h6p h LYS 21 N 0.41 1.03 -0.13 0.00 1.57 -0.87 -0.84 116.57 117.74 3h6p h LYS 21 Ca 0.08 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3h6p h LYS 21 Cb 0.61 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3h6p h LYS 21 CO 0.04 1.04 0.08 0.00 -0.57 0.00 0.00 179.45 180.04 3h6p h ALA 22 N 0.96 0.17 -0.57 3.86 0.00 -0.64 -1.05 119.26 121.98 3h6p h ALA 22 Ca 0.16 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3h6p h ALA 22 Cb 0.60 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3h6p h ALA 22 CO 0.04 -0.33 0.22 0.78 0.00 0.00 0.00 179.25 179.96 3h6p h GLY 23 N 0.16 0.79 1.01 0.00 0.00 -0.90 -1.77 103.07 102.35 3h6p h GLY 23 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3h6p h GLY 23 CO -0.01 0.01 0.49 -2.00 0.00 0.00 0.00 176.54 175.03 3h6p h LEU 24 N 0.41 0.91 -0.44 3.11 6.46 -0.89 -1.29 115.31 123.59 3h6p h LEU 24 Ca 0.28 -0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.96 3h6p h LEU 24 Cb 0.31 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.99 3h6p h LEU 24 CO -0.27 0.69 0.17 -0.03 -0.62 0.00 0.00 178.44 178.37 3h6p h MET 25 N 1.06 0.67 -0.52 1.25 4.05 -0.70 0.17 114.93 120.91 3h6p h MET 25 Ca 0.28 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 59.57 3h6p h MET 25 Cb -0.08 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.59 3h6p h MET 25 CO -0.06 0.62 0.29 0.00 0.23 0.00 0.00 176.91 178.00 3h6p h ARG 26 N 0.57 0.72 -0.16 0.39 3.08 -1.14 -0.73 114.38 117.11 3h6p h ARG 26 Ca 0.15 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.13 3h6p h ARG 26 Cb 0.21 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3h6p h ARG 26 CO -0.01 0.55 0.08 1.25 -1.07 0.00 0.00 179.97 180.77 3h6p h HIS 27 N 0.69 0.15 -0.63 3.04 2.76 -1.06 -2.93 115.15 117.18 3h6p h HIS 27 Ca 0.18 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.30 3h6p h HIS 27 Cb 0.03 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.91 3h6p h HIS 27 CO -0.02 0.09 0.15 1.15 -1.30 0.00 0.00 177.93 178.00 3h6p h THR 28 N 0.18 1.25 -0.55 6.26 2.02 -0.68 -1.26 112.91 120.13 3h6p h THR 28 Ca 0.06 -0.90 0.03 0.00 0.77 0.00 0.00 66.41 66.38 3h6p h THR 28 Cb 0.01 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 3h6p h THR 28 CO -0.04 0.34 0.31 0.40 0.37 0.00 0.00 175.52 176.90 3h6p h ILE 29 N 0.94 1.02 -0.47 3.11 2.04 -1.10 -0.11 117.51 122.94 3h6p h ILE 29 Ca 0.20 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 3h6p h ILE 29 Cb 0.33 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3h6p h ILE 29 CO 0.00 0.11 -0.03 1.23 0.00 0.00 0.00 178.15 179.46 3h6p h GLY 30 N 0.61 0.91 0.98 5.37 0.00 -1.23 -1.79 103.07 107.92 3h6p h GLY 30 Ca 0.23 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 3h6p h GLY 30 CO -0.12 0.64 0.25 1.46 0.00 0.00 0.00 176.54 178.76 3h6p h GLN 31 N 0.69 0.74 -0.64 4.80 1.08 -1.06 -1.73 115.11 118.98 3h6p h GLN 31 Ca 0.13 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3h6p h GLN 31 Cb 0.55 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.81 3h6p h GLN 31 CO 0.03 0.62 0.41 0.00 -0.95 0.00 0.00 178.83 178.93 3h6p h ALA 32 N 1.09 0.81 -0.56 3.87 0.00 -0.91 -0.12 119.26 123.44 3h6p h ALA 32 Ca 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3h6p h ALA 32 Cb 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3h6p h ALA 32 CO -0.02 0.26 0.34 1.49 0.00 0.00 0.00 179.25 181.32 3h6p h GLU 33 N 0.87 0.75 -0.42 0.00 4.81 -1.20 -1.76 114.58 117.62 3h6p h GLU 33 Ca 0.23 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 3h6p h GLU 33 Cb -0.07 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 3h6p h GLU 33 CO -0.05 0.54 0.03 1.96 -0.73 0.00 0.00 179.01 180.76 3h6p h GLN 34 N 0.75 0.72 -0.36 1.92 1.08 -0.88 -1.08 115.11 117.26 3h6p h GLN 34 Ca 0.20 -0.21 0.03 0.00 -1.45 0.00 0.00 58.65 57.22 3h6p h GLN 34 Cb -0.03 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.30 3h6p h GLN 34 CO -0.04 0.78 0.16 0.37 -0.95 0.00 0.00 178.83 179.15 3h6p h GLN 35 N 0.56 0.32 -0.47 1.46 -0.00 -0.94 -1.38 115.11 114.66 3h6p h GLN 35 Ca 0.12 -0.02 -0.08 0.00 -0.00 0.00 0.00 58.65 58.67 3h6p h GLN 35 Cb 0.43 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.82 3h6p h GLN 35 CO 0.02 0.21 -0.02 0.00 0.00 0.00 0.00 178.83 179.04 3h6p h ALA 36 N 1.20 0.64 -0.22 3.38 0.00 -1.16 -1.04 119.26 122.07 3h6p h ALA 36 Ca 0.16 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3h6p h ALA 36 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3h6p h ALA 36 CO -0.13 0.46 0.12 0.52 0.00 0.00 0.00 179.25 180.22 3h6p h MET 37 N 0.70 0.30 -0.70 0.00 2.86 -1.14 -1.28 114.93 115.67 3h6p h MET 37 Ca 0.13 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3h6p h MET 37 Cb 0.53 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 3h6p h MET 37 CO 0.03 0.26 0.41 1.03 1.06 0.00 0.00 176.91 179.70 3h6p h SER 38 N 0.25 0.85 -0.49 1.22 0.87 -1.12 -1.42 113.55 113.72 3h6p h SER 38 Ca 0.08 -0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 3h6p h SER 38 Cb 0.05 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 3h6p h SER 38 CO -0.01 0.68 0.01 0.00 -0.53 0.00 0.00 176.83 176.98 3h6p h ALA 39 N 1.21 1.00 -0.36 6.23 0.00 -1.04 -1.05 119.26 125.26 3h6p h ALA 39 Ca 0.25 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3h6p h ALA 39 Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3h6p h ALA 39 CO -0.04 0.61 -0.15 0.37 0.00 0.00 0.00 179.25 180.04 3h6p h GLN 40 N 0.85 0.73 -0.54 0.00 5.75 -0.88 -0.28 115.11 120.74 3h6p h GLN 40 Ca 0.16 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.34 3h6p h GLN 40 Cb 0.48 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 3h6p h GLN 40 CO 0.02 0.91 0.28 0.00 -2.65 0.00 0.00 178.83 177.40 3h6p h ALA 41 N 0.80 0.69 -0.19 3.38 0.00 -1.12 -0.17 119.26 122.65 3h6p h ALA 41 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h6p h ALA 41 Cb 0.68 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3h6p h ALA 41 CO 0.05 0.23 0.12 0.35 0.00 0.00 0.00 179.25 179.99 3h6p h PHE 42 N 0.72 0.22 -0.40 0.00 3.57 -1.02 -2.25 116.94 117.78 3h6p h PHE 42 Ca 0.19 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 3h6p h PHE 42 Cb 0.08 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3h6p h PHE 42 CO -0.01 0.13 -0.14 0.45 -2.23 0.00 0.00 178.31 176.51 3h6p h HIS 43 N 0.24 0.80 -0.51 0.41 3.86 -0.75 0.40 115.15 119.60 3h6p h HIS 43 Ca 0.07 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 3h6p h HIS 43 Cb -0.02 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 3h6p h HIS 43 CO -0.07 0.83 0.25 1.96 0.86 0.00 0.00 177.93 181.75 3h6p h GLN 44 N 0.66 0.73 -0.54 2.45 1.08 -0.94 -1.05 115.11 117.50 3h6p h GLN 44 Ca 0.11 -0.11 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 3h6p h GLN 44 Cb 0.61 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 3h6p h GLN 44 CO 0.04 0.61 -0.01 0.78 -0.95 0.00 0.00 178.83 179.30 3h6p h GLY 45 N 0.68 1.03 0.98 3.46 0.00 -1.06 -1.59 103.07 106.57 3h6p h GLY 45 Ca 0.17 -0.77 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 3h6p h GLY 45 CO -0.02 0.70 0.16 0.83 0.00 0.00 0.00 176.54 178.21 3h6p h GLU 46 N 0.83 0.82 -0.36 4.80 4.39 -0.83 -0.69 114.58 123.55 3h6p h GLU 46 Ca 0.15 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3h6p h GLU 46 Cb 0.54 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 3h6p h GLU 46 CO 0.03 0.76 0.23 1.03 -1.16 0.00 0.00 179.01 179.90 3h6p h SER 47 N 0.72 0.41 -0.30 1.42 0.87 -1.11 -0.17 113.55 115.39 3h6p h SER 47 Ca 0.17 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3h6p h SER 47 Cb 0.29 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3h6p h SER 47 CO -0.00 0.31 0.15 0.00 -0.53 0.00 0.00 176.83 176.76 3h6p h ALA 48 N 1.12 0.39 -0.73 6.23 0.00 -1.08 -0.06 119.26 125.14 3h6p h ALA 48 Ca 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3h6p h ALA 48 Cb -0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3h6p h ALA 48 CO -0.03 -0.05 0.34 0.00 0.00 0.00 0.00 179.25 179.51 3h6p h ALA 49 N 1.01 0.94 -0.48 0.00 0.00 -1.04 -1.49 119.26 118.19 3h6p h ALA 49 Ca 0.11 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3h6p h ALA 49 Cb 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3h6p h ALA 49 CO -0.01 0.51 -0.07 0.00 0.00 0.00 0.00 179.25 179.67 3h6p h ALA 50 N 1.17 0.66 -0.45 0.00 0.00 -0.77 -1.83 119.26 118.03 3h6p h ALA 50 Ca 0.25 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3h6p h ALA 50 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3h6p h ALA 50 CO -0.03 0.53 0.28 0.35 0.00 0.00 0.00 179.25 180.37 3h6p h PHE 51 N 0.75 0.59 -0.54 0.00 3.57 -0.82 -0.89 116.94 119.59 3h6p h PHE 51 Ca 0.13 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.64 3h6p h PHE 51 Cb 0.61 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 3h6p h PHE 51 CO 0.05 0.41 0.35 1.96 -2.23 0.00 0.00 178.31 178.84 3h6p h GLN 52 N 0.60 0.69 -0.01 1.11 4.20 -1.13 0.94 115.11 121.51 3h6p h GLN 52 Ca 0.16 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 3h6p h GLN 52 Cb -0.01 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 3h6p h GLN 52 CO -0.03 0.45 0.00 0.78 -0.67 0.00 0.00 178.83 179.37 3h6p h GLY 53 N 0.71 0.01 0.50 3.46 0.00 -1.16 -1.33 103.07 105.26 3h6p h GLY 53 Ca 0.20 -0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.60 3h6p h GLY 53 CO -0.06 0.00 0.22 0.00 0.00 0.00 0.00 176.54 176.71 3h6p h ALA 54 N 0.96 0.71 -0.49 3.60 0.00 -1.00 -1.07 119.26 121.97 3h6p h ALA 54 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3h6p h ALA 54 Cb 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3h6p h ALA 54 CO -0.00 -0.17 0.21 1.25 0.00 0.00 0.00 179.25 180.54 3h6p h HIS 55 N 0.42 0.72 -0.64 0.00 6.17 -0.63 0.11 115.15 121.31 3h6p h HIS 55 Ca 0.27 -0.05 0.05 0.00 0.71 0.00 0.00 60.37 61.35 3h6p h HIS 55 Cb 0.29 -0.22 -0.05 0.00 2.52 0.00 0.00 27.41 29.95 3h6p h HIS 55 CO -0.15 0.59 0.37 0.00 0.71 0.00 0.00 177.93 179.45 3h6p h ALA 56 N 1.06 0.84 -0.46 5.26 0.00 -0.97 -1.38 119.26 123.60 3h6p h ALA 56 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3h6p h ALA 56 Cb 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3h6p h ALA 56 CO -0.02 0.07 -0.08 0.00 0.00 0.00 0.00 179.25 179.22 3h6p h ARG 57 N 0.69 0.81 -0.17 0.00 3.08 -0.54 -1.50 114.38 116.76 3h6p h ARG 57 Ca 0.27 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3h6p h ARG 57 Cb 0.12 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3h6p h ARG 57 CO -0.15 0.87 0.08 0.35 -1.07 0.00 0.00 179.97 180.05 3h6p h PHE 58 N 0.74 0.25 -0.45 3.04 3.57 -0.55 -1.10 116.94 122.44 3h6p h PHE 58 Ca 0.13 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3h6p h PHE 58 Cb 0.57 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 3h6p h PHE 58 CO 0.03 0.27 0.29 0.28 -2.23 0.00 0.00 178.31 176.95 3h6p h VAL 59 N 0.15 1.13 -0.58 1.41 2.07 -1.10 0.08 116.25 119.41 3h6p h VAL 59 Ca 0.06 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3h6p h VAL 59 Cb 0.12 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3h6p h VAL 59 CO -0.01 0.12 0.34 0.00 0.02 0.00 0.00 177.57 178.05 3h6p h ALA 60 N 1.15 0.74 -0.58 1.67 0.00 -1.19 -1.68 119.26 119.36 3h6p h ALA 60 Ca 0.16 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3h6p h ALA 60 Cb -0.05 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3h6p h ALA 60 CO -0.03 0.23 0.17 0.00 0.00 0.00 0.00 179.25 179.62 3h6p h ALA 61 N 1.17 0.76 -0.85 0.00 0.00 -0.93 -2.67 119.26 116.74 3h6p h ALA 61 Ca 0.21 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h6p h ALA 61 Cb -0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3h6p h ALA 61 CO -0.04 0.44 0.52 0.00 0.00 0.00 0.00 179.25 180.17 3h6p h ALA 62 N 1.04 1.08 -0.89 0.00 0.00 -0.75 -0.23 119.26 119.51 3h6p h ALA 62 Ca 0.19 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.08 3h6p h ALA 62 Cb 0.30 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 3h6p h ALA 62 CO -0.00 0.52 0.55 0.00 0.00 0.00 0.00 179.25 180.32 3h6p h ALA 63 N 1.28 1.24 -0.37 0.00 0.00 -1.10 0.30 119.26 120.61 3h6p h ALA 63 Ca 0.31 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 3h6p h ALA 63 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3h6p h ALA 63 CO -0.06 0.28 -0.20 0.87 0.00 0.00 0.00 179.25 180.13 3h6p h LYS 64 N 0.98 0.80 -0.70 0.00 1.57 -1.01 -1.53 116.57 116.68 3h6p h LYS 64 Ca 0.40 -0.36 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3h6p h LYS 64 Cb 0.22 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 3h6p h LYS 64 CO -0.19 0.99 0.45 0.28 -0.57 0.00 0.00 179.45 180.41 3h6p h VAL 65 N 0.59 1.13 -0.59 0.50 2.07 -0.68 0.27 116.25 119.55 3h6p h VAL 65 Ca 0.08 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 3h6p h VAL 65 Cb 0.76 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3h6p h VAL 65 CO 0.06 0.16 0.14 0.78 0.02 0.00 0.00 177.57 178.73 3h6p h ASN 66 N 0.90 0.90 -0.64 0.57 2.35 -0.67 -0.17 115.58 118.83 3h6p h ASN 66 Ca 0.27 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.79 3h6p h ASN 66 Cb -0.04 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.06 3h6p h ASN 66 CO -0.08 0.91 0.42 0.74 -1.65 0.00 0.00 177.43 177.76 3h6p h THR 67 N 0.86 1.16 -0.06 2.81 2.02 -0.95 -2.30 112.91 116.44 3h6p h THR 67 Ca 0.19 -0.30 -0.12 0.00 0.77 0.00 0.00 66.41 66.95 3h6p h THR 67 Cb 0.36 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3h6p h THR 67 CO 0.00 0.16 -0.51 -0.07 0.37 0.00 0.00 175.52 175.47 3h6p h LEU 68 N 0.86 0.18 -0.64 2.58 3.38 -0.65 -2.08 115.31 118.95 3h6p h LEU 68 Ca 0.23 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 3h6p h LEU 68 Cb -0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3h6p h LEU 68 CO -0.05 0.66 0.01 -0.07 0.09 0.00 0.00 178.44 179.08 3h6p h LEU 69 N 0.13 1.05 -0.59 1.67 3.38 -0.84 -1.50 115.31 118.61 3h6p h LEU 69 Ca 0.00 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3h6p h LEU 69 Cb 0.95 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3h6p h LEU 69 CO 0.07 1.09 0.27 0.44 0.09 0.00 0.00 178.44 180.41 3h6p h ASP 70 N 0.98 0.77 -0.66 -0.43 3.32 -1.18 -0.85 116.42 118.37 3h6p h ASP 70 Ca 0.18 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.11 3h6p h ASP 70 Cb 0.55 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 3h6p h ASP 70 CO 0.03 0.70 0.43 0.40 -1.72 0.00 0.00 179.24 179.07 3h6p h ILE 71 N 0.80 1.13 -0.25 0.35 2.04 -1.25 -0.64 117.51 119.69 3h6p h ILE 71 Ca 0.20 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.77 3h6p h ILE 71 Cb 0.14 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3h6p h ILE 71 CO -0.02 0.16 0.15 0.00 0.00 0.00 0.00 178.15 178.43 3h6p h ALA 72 N 1.27 0.31 -0.54 1.87 0.00 -1.02 -2.30 119.26 118.84 3h6p h ALA 72 Ca 0.26 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3h6p h ALA 72 Cb -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3h6p h ALA 72 CO -0.08 -0.23 0.33 0.37 0.00 0.00 0.00 179.25 179.63 3h6p h GLN 73 N 0.31 0.63 -0.03 0.00 4.15 -0.75 -1.52 115.11 117.90 3h6p h GLN 73 Ca 0.09 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.48 3h6p h GLN 73 Cb -0.02 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.53 3h6p h GLN 73 CO -0.03 0.41 0.02 0.00 -1.93 0.00 0.00 178.83 177.30 3h6p h ALA 74 N 1.24 1.82 -0.65 3.38 0.00 -0.91 -2.40 119.26 121.74 3h6p h ALA 74 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3h6p h ALA 74 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3h6p h ALA 74 CO -0.10 -0.04 0.00 0.09 0.00 0.00 0.00 179.25 179.20 3h6p n ASN 75 N -4.23 4.09 -0.68 0.00 3.02 -0.60 -5.10 115.26 111.76 3h6p n ASN 75 Ca -0.02 -2.21 0.13 0.00 -0.03 0.00 0.00 54.58 52.45 3h6p n ASN 75 Cb 0.12 -0.51 0.35 0.00 -0.61 0.00 0.00 39.78 39.12 3h6p n ASN 75 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82